Ligand K-edge X-ray absorption spectroscopy and DFT calculations on [Fe 3S 4] 0,+ clusters: Delocalization, redox, and effect of the protein environment

Journal of the American Chemical Society

Volumn 126, Issue 51, 2004, Pages 16868-16878

  Dey, Abhishek ^a   Glaser, Thorsten ^d   Moura, Jose J G ^b   Holm, Richard H ^c   Hedman, Britt ^a   Hodgson, Keith O ^a   Solomon, Edward I ^a  

^a SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^b UNIVERSIDADE NOVA DE LISBOA   (Portugal)

^c HARVARD UNIVERSITY   (United States)

^d UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTERS; COMPLEXES; COVALENCIES; LIGANDS;

ABSORPTION SPECTROSCOPY; ANTIFERROMAGNETIC MATERIALS; CHEMICAL BONDS; COMPLEXATION; HYDROGEN BONDS; IONIZATION; MATHEMATICAL MODELS; OXIDATION; PARAMETER ESTIMATION; X RAY SPECTROSCOPY;

IRON COMPOUNDS;

FERREDOXIN;

ABSORPTION SPECTROSCOPY; ARTICLE; CHEMICAL BOND; COVALENT BOND; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; HYDROGEN BOND; IONIZATION; LIGAND BINDING; METAL BINDING; MOLECULAR INTERACTION; OXIDATION REDUCTION REACTION; ROENTGEN SPECTROSCOPY;

BINDING SITES; FERREDOXINS; IRON; IRON-SULFUR PROTEINS; MODELS, CHEMICAL; MODELS, MOLECULAR; OXIDATION-REDUCTION; SPECTROMETRY, X-RAY EMISSION; SULFUR; THERMODYNAMICS;

EID: 11344269735     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0466208     Document Type: Article

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